5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide

C20H27N3O6S2 — CID 19257781

IUPAC5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C20H27N3O6S2/c1-6-23(7-2)31(27,28)17-12-13-19(29-5)18(14-17)20(24)21-15-8-10-16(11-9-15)30(25,26)22(3)4/h8-14H,6-7H2,1-5H3,(H,21,24)
InChIKeyDMODSWQWHWWRQW-UHFFFAOYSA-N
MW469.59 g/mol
LogP2.23
Rot. Bonds9

About 5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide

5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide (PubChem CID 19257781) has the molecular formula C20H27N3O6S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
PubChem CID19257781
Molecular FormulaC20H27N3O6S2
Molecular Weight469.59 g/mol
Exact Mass469.13
IUPAC Name5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C20H27N3O6S2/c1-6-23(7-2)31(27,28)17-12-13-19(29-5)18(14-17)20(24)21-15-8-10-16(11-9-15)30(25,26)22(3)4/h8-14H,6-7H2,1-5H3,(H,21,24)
InChIKeyDMODSWQWHWWRQW-UHFFFAOYSA-N
XLogP2.23
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
5-(azepan-1-ylsulfonyl)-N-[4-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 28591164
N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257784
N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100678955
5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 38707307
5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)-2-methoxybenzamide
CID 19257762
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 2162628
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide (CID 19257781) is 5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide?
The InChIKey is DMODSWQWHWWRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6S2/c1-6-23(7-2)31(27,28)17-12-13-19(29-5)18(14-17)20(24)21-15-8-10-16(11-9-15)30(25,26)22(3)4/h8-14H,6-7H2,1-5H3,(H,21,24).
What are the key properties of 5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide?
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide has a molecular weight of 469.59 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 19257781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).